SCHEMBL7770944

SCHEMBL7770944

NCc1cc(N)cc(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
DDO Q99489 1/20 0.44
TPMT P51580 3/20 0.41
LOXL2 Q9Y4K0 5/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
FOLH1 Q04609 1/20 0.37
PLAU P00749 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
CA3 P07451 1/20 0.37
MAPT P10636 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7518116 0.87 LOXL2 (0.44) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL934326 0.87 LOXL2 (0.44) KDM4EALDH1A1LMNATPMTLOXL2
SCHEMBL28177112 0.86 LNPEP (0.44) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL31454166 0.85 ALDH1A1 (0.45) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL1683777 0.85 ALDH1A1 (0.45) KDM4EALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL9139047 0.85 LOXL2 (0.43) KDM4EALDH1A1LMNATPMTLOXL2
Hydrochloric Acid SCHEMBL22400384 0.85 LOXL2 (0.43) KDM4EALDH1A1LMNATPMTLOXL2
SCHEMBL7589533 0.83 TPMT (0.46) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL3503704 0.83 TSHR (0.39) LMNALOXL2PLAUSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL7596506 0.82 TPMT (0.45) KDM4EALDH1A1LMNAMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121378-A1 A PROCESS FOR THE PREPARATION OF A THROMBUS IMAGING AGENT Du Pont Pharmaceuticals Company (US) 2001-08-08 EP disclosed
WO-2000021982-A1 A PROCESS FOR THE PREPARATION OF A THROMBUS IMAGING AGENT DU PONT PHARMACEUTICALS COMPANY (US) 2000-04-20 WO disclosed
US-6022523-A NOVEL CYCLIC COMPOUNDS CONTAINING CARBOCYCLIC AND HETEROCYCLIC RING SYSTEMS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-08 US disclosed